3-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 3-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 3-[(4-chloro-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-(3-pyridylmethyl)benzamide CAS Name: 3-[[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 3-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 3-[[(4-chloro-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-(3-pyridylmethyl)benzamide Formula: C22H22ClN5O2S MolecularWeight: 455.96038

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCC4=CN=CC=C4)Cl

Isomeric SMILES

C1COCCN1C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCC4=CN=CC=C4)Cl

InChI

InChI=1S/C22H22ClN5O2S/c23-19-12-20(28-7-9-30-10-8-28)27-22(26-19)31-15-16-3-1-5-18(11-16)21(29)25-14-17-4-2-6-24-13-17/h1-6,11-13H,7-10,14-15H2,(H,25,29)